RDKit 3D 118123 0 0 0 0 0 0 0 0999 V2000 2.0482 -0.7992 1.2138 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2237 -0.9706 2.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8385 -0.0269 3.1983 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8128 -2.0168 3.2159 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8796 -3.0600 2.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5515 -2.6573 3.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 -1.5767 2.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -1.0370 2.6924 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3865 -0.3893 4.0052 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4138 0.8843 4.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2482 1.0453 5.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 2.0976 3.5901 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3334 2.3020 3.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8774 1.8269 2.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8038 2.2841 1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5569 2.1777 2.1523 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3757 2.5200 1.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3935 2.9870 0.3763 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0351 2.3174 2.2663 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3540 3.5733 3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7068 3.4011 3.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 2.7423 4.6735 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7092 4.0032 2.9854 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9401 1.8613 1.2605 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6323 2.6712 0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 3.8857 0.5645 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1716 1.9573 -0.8586 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5804 2.4709 -1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 1.5998 -2.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2476 1.9352 -3.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8641 1.1112 -4.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5098 -0.0549 -4.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5388 -0.3995 -2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 0.4221 -1.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2217 2.2651 -1.9316 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2796 1.4554 -2.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4846 1.9395 -3.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2794 -0.0529 -2.1604 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2987 -0.7717 -3.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5173 -1.9063 -3.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -1.3863 -3.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -0.6408 -2.5174 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1171 -0.4424 -1.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0011 0.0208 -0.5798 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4892 -0.8941 -2.2663 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9091 -0.0303 -3.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7641 1.0592 -2.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5265 0.3023 -1.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6138 -0.7398 -1.3208 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9319 -1.4958 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0261 -1.3710 0.3483 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8972 -2.5076 0.3172 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9848 -3.8411 -0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7356 -4.6717 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 -4.5198 -1.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4587 -5.2464 -0.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -6.1306 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4755 -6.2899 1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6465 -5.5642 0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1216 -2.7349 1.7523 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5576 -2.1517 2.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8945 -2.5751 3.9513 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5945 -1.6399 0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1765 0.8026 2.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7224 0.0650 4.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1484 -2.0558 4.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1397 -3.9586 3.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9623 -3.3347 1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5724 -2.3184 4.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1843 -3.5504 3.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4424 -0.7245 2.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1513 -1.9860 1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -0.3167 1.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3184 -1.0399 4.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3095 2.9537 4.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5506 3.3712 3.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7916 1.7723 4.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9639 0.7351 2.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8596 2.2463 2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7648 1.6853 0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9472 3.3348 1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 1.4796 2.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3493 3.7795 3.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3229 4.4769 2.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4071 4.3577 2.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 0.8498 1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 0.8823 -0.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5481 3.5080 -1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1927 2.4927 -0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7414 2.8383 -3.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8409 1.3808 -5.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9931 -0.6932 -4.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0434 -1.3079 -2.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 0.1355 -0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0954 3.2423 -2.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 -0.2205 -1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7058 -0.1068 -3.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 -1.1566 -2.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5719 -2.7996 -3.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9024 -2.1678 -4.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0478 -0.6899 -4.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6463 -2.1869 -3.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4138 -1.9454 -2.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5252 -0.6252 -4.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0822 0.3975 -4.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4241 1.5552 -3.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 1.8190 -2.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4175 -0.1838 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8308 0.9376 -0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9104 -2.0739 0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1303 -3.6890 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8632 -4.4148 -0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6687 -3.8367 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3931 -5.1279 -1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -6.7015 0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4191 -6.9815 1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4864 -5.6965 1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8938 -3.3421 2.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 46 47 1 0 52 53 1 0 53 54 1 0 47 48 1 0 60 61 1 0 48 49 1 0 61 8 1 0 31 32 2 0 61 62 2 0 49 50 1 0 8 7 1 0 12 13 1 0 7 6 1 0 50 52 1 0 6 5 1 0 32 33 1 0 5 4 1 0 52 60 1 0 8 9 1 0 13 14 1 0 9 10 1 0 45 43 1 0 10 11 2 0 10 12 1 0 33 34 2 0 17 19 1 0 17 18 2 0 50 51 2 0 19 20 1 0 16 17 1 0 42 38 1 0 34 29 1 0 43 44 2 0 43 42 1 0 38 36 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 49 45 1 0 27 28 1 0 28 29 1 0 36 37 2 0 20 21 1 0 14 15 1 0 21 23 1 0 36 35 1 0 21 22 2 0 35 27 1 0 29 30 2 0 4 2 1 0 15 16 1 0 2 1 2 3 27 25 1 0 2 3 1 0 30 31 1 0 25 24 1 0 54 55 2 0 16 12 1 0 55 56 1 0 25 26 2 0 56 57 2 0 45 46 1 0 57 58 1 0 24 19 1 0 58 59 2 0 59 54 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 12 75 1 1 13 76 1 0 13 77 1 0 30 90 1 0 31 91 1 0 32 92 1 0 33 93 1 0 34 94 1 0 45103 1 6 46104 1 0 46105 1 0 47106 1 0 47107 1 0 48108 1 0 48109 1 0 52110 1 1 60118 1 0 35 95 1 0 27 87 1 1 24 86 1 0 19 82 1 1 53111 1 0 53112 1 0 8 73 1 6 7 71 1 0 7 72 1 0 6 69 1 0 6 70 1 0 5 67 1 0 5 68 1 0 4 66 1 0 9 74 1 0 20 83 1 0 20 84 1 0 38 96 1 1 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 28 88 1 0 28 89 1 0 23 85 1 0 1 63 1 0 3 64 1 0 3 65 1 0 55113 1 0 56114 1 0 57115 1 0 58116 1 0 59117 1 0 M END